3-[(3-methoxyphenyl)methyl]-N-(3-phenylprop-2-enyl)azetidine-3-carboxamide

C21H24N2O2 — CID 171322749

IUPAC3-[(3-methoxyphenyl)methyl]-N-(3-phenylprop-2-enyl)azetidine-3-carboxamide
SMILESCOc1cccc(CC2(C(=O)NCC=Cc3ccccc3)CNC2)c1
InChIInChI=1S/C21H24N2O2/c1-25-19-11-5-9-18(13-19)14-21(15-22-16-21)20(24)23-12-6-10-17-7-3-2-4-8-17/h2-11,13,22H,12,14-16H2,1H3,(H,23,24)
InChIKeyQRYVNYIZXDUOCX-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.66
Rot. Bonds7

About 3-[(3-methoxyphenyl)methyl]-N-(3-phenylprop-2-enyl)azetidine-3-carboxamide

3-[(3-methoxyphenyl)methyl]-N-(3-phenylprop-2-enyl)azetidine-3-carboxamide (PubChem CID 171322749) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)methyl]-N-(3-phenylprop-2-enyl)azetidine-3-carboxamide.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)methyl]-N-(3-phenylprop-2-enyl)azetidine-3-carboxamide
PubChem CID171322749
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name3-[(3-methoxyphenyl)methyl]-N-(3-phenylprop-2-enyl)azetidine-3-carboxamide
SMILESCOc1cccc(CC2(C(=O)NCC=Cc3ccccc3)CNC2)c1
InChIInChI=1S/C21H24N2O2/c1-25-19-11-5-9-18(13-19)14-21(15-22-16-21)20(24)23-12-6-10-17-7-3-2-4-8-17/h2-11,13,22H,12,14-16H2,1H3,(H,23,24)
InChIKeyQRYVNYIZXDUOCX-UHFFFAOYSA-N
XLogP2.66
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 63140807
1-[(3-methoxyphenyl)methyl]cyclooctane-1-carboxylic acid
CID 80611133
1-(hydroxymethyl)-N-[2-(3-methoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 115184171
methyl 8-[(3-methoxyphenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 131709908
2-(3-methoxyphenyl)-N-phenylacetamide
CID 2598681
phenyl N-[2-(3-methoxyphenyl)ethyl]carbamate
CID 110755565
N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]acetamide
CID 129353993
(E)-3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 7772448
1-amino-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119711038
1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 137319056
1-[(3-methoxyphenyl)methyl]cyclopropan-1-ol
CID 62669869
1-[(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 69477572

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)methyl]-N-(3-phenylprop-2-enyl)azetidine-3-carboxamide?
The IUPAC name of 3-[(3-methoxyphenyl)methyl]-N-(3-phenylprop-2-enyl)azetidine-3-carboxamide (CID 171322749) is 3-[(3-methoxyphenyl)methyl]-N-(3-phenylprop-2-enyl)azetidine-3-carboxamide.
What is the SMILES notation for 3-[(3-methoxyphenyl)methyl]-N-(3-phenylprop-2-enyl)azetidine-3-carboxamide?
The canonical SMILES for 3-[(3-methoxyphenyl)methyl]-N-(3-phenylprop-2-enyl)azetidine-3-carboxamide is COc1cccc(CC2(C(=O)NCC=Cc3ccccc3)CNC2)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)methyl]-N-(3-phenylprop-2-enyl)azetidine-3-carboxamide?
The InChIKey is QRYVNYIZXDUOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-25-19-11-5-9-18(13-19)14-21(15-22-16-21)20(24)23-12-6-10-17-7-3-2-4-8-17/h2-11,13,22H,12,14-16H2,1H3,(H,23,24).
What are the key properties of 3-[(3-methoxyphenyl)methyl]-N-(3-phenylprop-2-enyl)azetidine-3-carboxamide?
3-[(3-methoxyphenyl)methyl]-N-(3-phenylprop-2-enyl)azetidine-3-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)methyl]-N-(3-phenylprop-2-enyl)azetidine-3-carboxamide is sourced from PubChem (CID 171322749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).